SCHEMBL6095894

SCHEMBL6095894

COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccc(F)cc3)c2)=C(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CFD P00746 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE10A Q9Y233 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6098348 0.91 CCR5 (0.48) CFDNPSR1ALDH1A1HTTTDP1
SCHEMBL6095530 0.91 ALDH1A1 (0.47) CFDNPSR1ALDH1A1HTTMAPT
SCHEMBL6094337 0.91 CCR5 (0.43) CA1CA2CA7CA9CFD
SCHEMBL6096112 0.90 PPARA (0.50) CFDNPSR1ALDH1A1HTTTDP1
SCHEMBL6095718 0.90 PKM (0.52) CA1CA2CA7CA9CFD
SCHEMBL6097613 0.90 KMT2A (0.47) CFDNPSR1ALDH1A1HTTTDP1
SCHEMBL6096541 0.88 SIRT2 (0.41) CA1CA2CA7CA9CFD
SCHEMBL6095243 0.88 KMT2A (0.46) CA1CA2CA7CA9CFD
SCHEMBL6095797 0.88 CA1 (0.42) CA1CA2CA7CA9CFD
SCHEMBL6097089 0.87 HTT (0.39) CA1CA2CA7CA9CFD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US claimed
US-7064124-B2 NF-κB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-06-20 US disclosed
US-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-06-24 US disclosed
EP-1314712-A1 NF-KAPPA-B INHIBITOR CONTAINING SUBSTITUTED BENZOIC ACID DERIVATIVE AS ACTIVE INGREDIENT Daiichi Suntory Pharma Co., Ltd. (JP) 2003-05-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040122244-A1 Nf-kappa b inhibitor containing substituted benzoic acid derivative as active ingredient NFKBIA, NFKB1, IKBKB CA1 4533/4885CA2 4053/4885CA7 4075/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.